[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

C10H19F3N2O3S — CID 102938509

IUPAC[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C10H19F3N2O3S/c1-8-6-15(7-9(5-14)18-8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyYDQDMDIQHCLZGC-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.71
Rot. Bonds5

About [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 102938509) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
PubChem CID102938509
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C10H19F3N2O3S/c1-8-6-15(7-9(5-14)18-8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyYDQDMDIQHCLZGC-UHFFFAOYSA-N
XLogP0.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (CID 102938509) is [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is CC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CN)O1.
What is the InChIKey of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is YDQDMDIQHCLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-8-6-15(7-9(5-14)18-8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 304.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 102938509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).